(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine

C16H16BrClFN — CID 59682348

IUPAC(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
SMILESC[C@H](N)C(F)(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-11(20)16(19,13-3-2-4-14(17)9-13)10-12-5-7-15(18)8-6-12/h2-9,11H,10,20H2,1H3/t11-,16?/m0/s1
InChIKeyBIZSUFZACAVELL-CHPOKUKFSA-N
MW356.67 g/mol
LogP4.86
Rot. Bonds4

About (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine

(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine (PubChem CID 59682348) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
PubChem CID59682348
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
SMILESC[C@H](N)C(F)(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrClFN/c1-11(20)16(19,13-3-2-4-14(17)9-13)10-12-5-7-15(18)8-6-12/h2-9,11H,10,20H2,1H3/t11-,16?/m0/s1
InChIKeyBIZSUFZACAVELL-CHPOKUKFSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Bis(4-chlorophenyl)-1-methylpropylamine hydrochloride
CID 22270427
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
3-(4-Chlorophenyl)-4-(4-fluorophenyl)butan-2-amine
CID 19073580
3-(4-Chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine
CID 19073628
4-(4-Chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine
CID 22270483
4-(4-Chlorophenyl)-3-(2-fluorophenyl)butan-2-amine
CID 22270516
4-(4-Chlorophenyl)-3-(4-fluorophenyl)butan-2-amine
CID 22270535
4-(4-Chlorophenyl)-3-(3-fluorophenyl)butan-2-amine
CID 22270684
3-(3-Bromo-5-fluorophenyl)-4-(4-fluorophenyl)butan-2-amine
CID 22270713
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
4-(4-Chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 22270756
1-[3-Azido-1-(4-chlorophenyl)butan-2-yl]-3-bromo-5-fluorobenzene
CID 57438718

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The IUPAC name of (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine (CID 59682348) is (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine.
What is the SMILES notation for (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The canonical SMILES for (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine is C[C@H](N)C(F)(Cc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine?
The InChIKey is BIZSUFZACAVELL-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-11(20)16(19,13-3-2-4-14(17)9-13)10-12-5-7-15(18)8-6-12/h2-9,11H,10,20H2,1H3/t11-,16?/m0/s1.
What are the key properties of (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine?
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine is sourced from PubChem (CID 59682348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).